methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

C24H29BrN2O5 — CID 147279537

About methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate (PubChem CID 147279537) has the molecular formula C24H29BrN2O5 and a molecular weight of 505.41 g/mol. Its IUPAC name is methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
• PubChem CID: 147279537
• Molecular Formula: C24H29BrN2O5
• Molecular Weight: 505.41 g/mol
• Exact Mass: 504.13
• IUPAC Name: methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)N[C@H](C(=O)N1CCC[C@@H]1C1=C2COCC2=C(c2ccc(Br)cc2)C1)[C@@H](C)OC
• InChI: InChI=1S/C24H29BrN2O5/c1-14(30-2)22(26-24(29)31-3)23(28)27-10-4-5-21(27)18-11-17(19-12-32-13-20(18)19)15-6-8-16(25)9-7-15/h6-9,14,21-22H,4-5,10-13H2,1-3H3,(H,26,29)/t14-,21-,22+/m1/s1
• InChIKey: CSADRLALAZOGOQ-ZLUZWTFRSA-N
• XLogP: 3.68
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.41
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate (CID 147279537) is methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1CCC[C@@H]1C1=C2COCC2=C(c2ccc(Br)cc2)C1)[C@@H](C)OC.

What is the InChIKey of methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

The InChIKey is CSADRLALAZOGOQ-ZLUZWTFRSA-N. The full InChI is InChI=1S/C24H29BrN2O5/c1-14(30-2)22(26-24(29)31-3)23(28)27-10-4-5-21(27)18-11-17(19-12-32-13-20(18)19)15-6-8-16(25)9-7-15/h6-9,14,21-22H,4-5,10-13H2,1-3H3,(H,26,29)/t14-,21-,22+/m1/s1.

What are the key properties of methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate?

methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate has a molecular weight of 505.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2S,3R)-1-[(2R)-2-[4-(4-bromophenyl)-3,5-dihydro-1H-cyclopenta[c]furan-6-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 147279537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).